PUBCHEM-ZINC03874621 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 56 0 0 1 0 0 0 0 0999 V2000 1.1680 0.5460 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.9460 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -1.2210 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -2.7260 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -3.0240 -0.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6150 -2.5630 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -4.5390 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -5.3650 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -4.9140 -1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -6.2870 -1.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1630 -6.8960 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -6.3860 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -5.9390 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -5.9800 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 -6.8020 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -6.8720 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -7.4540 -3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -6.8030 -2.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -7.2730 -3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -7.8860 -4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -8.3380 -5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -8.1710 -5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -7.5490 -4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -7.1040 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -8.6510 -6.2020 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2120 -9.2390 -7.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -8.4390 -5.8760 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9180 -2.4980 0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -1.8540 -0.7390 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -0.6420 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 0.7200 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 1.0380 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 1.0200 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -1.3940 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.4120 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.7610 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -0.7510 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -3.1830 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -3.1790 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -4.1040 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -5.7800 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -7.4220 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -4.9010 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 -6.9960 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8800 -5.6300 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 -5.3330 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -6.6810 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -6.5150 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -7.8630 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -6.3500 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -8.0200 -5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -8.8100 -6.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -7.4020 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -6.6200 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -2.9990 -1.7220 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2210 -1.5470 0.1960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 55 -1 M CHG 1 56 -1 M END